SCHEMBL844802

SCHEMBL844802

C#Cc1ccc2nc([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 6/20 0.51
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
PTPN1 P18031 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
LMNA P02545 3/20 0.45
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 1/20 0.43
PKM P14618 2/20 0.43
HPGD P15428 2/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 1/20 0.43
ALOX15 P16050 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL844667 0.89 AAK1 (0.50) AAK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL24143407 0.85 CYP1A2 (0.67) AAK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL844288 0.80 CYP1A2 (0.52) AAK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL630992 0.80 PTPN1 (0.66) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL3700179 0.76 AAK1 (0.58) AAK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3700177 0.76 AAK1 (0.58) AAK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29095821 0.75 PPARA (0.56) AAK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL24485487 0.75 PPARA (0.56) AAK1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1197116 0.74 ALDH1A1 (0.49) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL24767619 0.74 PTPRB (0.59) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2188276-B1 SUBSTITUTED HYDANTOINS HOFFMANN LA ROCHE (CH) 2012-03-28 EP disclosed
US-7557221-B2 Substituted hydantoins HOFFMAN-LA ROCHE INC. (US) 2009-07-07 US disclosed
US-20090048452-A1 (R)-5-[4-(2-Hydroxy-ethoxy)-phenyl]-3-[(S)-1-(6-iodo-1H-benzoimidazol-2-yl)-2-phenyl-ethyl]-imidazolidine-2,4-dione; map kinase inhibitors; antihyperproliferative agents CHEN SHAOQING 2009-02-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090048452-A1 (R)-5-[4-(2-Hydroxy-ethoxy)-phenyl]-3-[(S)-1-(6-iodo-1H-benzoimidazol-2-yl)-2-phenyl-ethyl]-imidazolidine-2,4-dione; map kinase inhibitors; antihyperproliferative agents MAPK1, MAP3K2, MAP3K1 AAK1 555/4885CYP1A2 1001/4885CYP3A4 2828/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.